SCHEMBL2090397

SCHEMBL2090397

CC1(COc2ccc(N3CCC(COC(=O)Nc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 4/20 0.52
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ENPP2 Q13822 1/20 0.36
DEGS1 O15121 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
BCHE P06276 2/20 0.35
MAOB P27338 1/20 0.35
ACHE P22303 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2090392 1.00 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MEN1
SCHEMBL2093169 0.91 PTGS1 (0.72) PTGS1SLC6A2SLC6A4KCNH2MEN1
SCHEMBL2093166 0.91 PTGS1 (0.72) PTGS1SLC6A2SLC6A4KCNH2MEN1
SCHEMBL1079472 0.89 PTGS1 (0.67) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL1044736 0.89 PTGS1 (0.67) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL1044734 0.89 PTGS1 (0.67) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2096522 0.85 SLC6A2 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2096517 0.85 SLC6A2 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5547591 0.84 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2LMNA
SCHEMBL5546516 0.84 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PTGS1 2872/4885SLC6A2 3591/4885SLC6A4 4365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.